Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers.
Lorenz, Marco
Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. [electronic resource] - The Journal of chemical physics Mar 2011 - 094101 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1089-7690
10.1063/1.3554209 doi
Polymers--chemistry
Quantum Theory
Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. [electronic resource] - The Journal of chemical physics Mar 2011 - 094101 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1089-7690
10.1063/1.3554209 doi
Polymers--chemistry
Quantum Theory